Geometry & MOs

Info

ID:	293825
PubChem CID:	117403844
Reduced:	BrFNOC10H11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	259.00303
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	2.94
IP(EA), eV:	-9.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-6-methylsulfanylphenyl)propan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCN)Br)CF

DOS

IR

Vibrations